[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone

C23H18F2N6O3 — CID 169164175

IUPAC[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone
SMILESCn1ccc(-c2nc(C(F)F)c(C(=O)N3CCc4[nH]cnc4[C@H]3c3cc4ccccc4o3)o2)n1
InChIInChI=1S/C23H18F2N6O3/c1-30-8-6-14(29-30)22-28-18(21(24)25)20(34-22)23(32)31-9-7-13-17(27-11-26-13)19(31)16-10-12-4-2-3-5-15(12)33-16/h2-6,8,10-11,19,21H,7,9H2,1H3,(H,26,27)/t19-/m1/s1
InChIKeyBDWYSVVKYVLMEM-LJQANCHMSA-N
MW464.43 g/mol
LogP4.27
Rot. Bonds4

About [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone

[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone (PubChem CID 169164175) has the molecular formula C23H18F2N6O3 and a molecular weight of 464.43 g/mol. Its IUPAC name is [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone
PubChem CID169164175
Molecular FormulaC23H18F2N6O3
Molecular Weight464.43 g/mol
Exact Mass464.14
IUPAC Name[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone
SMILESCn1ccc(-c2nc(C(F)F)c(C(=O)N3CCc4[nH]cnc4[C@H]3c3cc4ccccc4o3)o2)n1
InChIInChI=1S/C23H18F2N6O3/c1-30-8-6-14(29-30)22-28-18(21(24)25)20(34-22)23(32)31-9-7-13-17(27-11-26-13)19(31)16-10-12-4-2-3-5-15(12)33-16/h2-6,8,10-11,19,21H,7,9H2,1H3,(H,26,27)/t19-/m1/s1
InChIKeyBDWYSVVKYVLMEM-LJQANCHMSA-N
XLogP4.27
TPSA105.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.43
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-cyclopropyl-4-(difluoromethyl)-1,3-oxazol-5-yl]methanone
CID 177297452
[(4S)-4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone
CID 169164327
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-chloro-1-methylpyrazol-5-yl)methanone
CID 177297654
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(2-hydroxypropan-2-yl)-4-methyl-1,3-oxazol-5-yl]methanone
CID 169164383
[4-(difluoromethyl)-2-pyridin-2-yl-1,3-oxazol-5-yl]-[(4S)-4-quinolin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 176863164
[(4R)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(1,3-oxazol-5-yl)methanone
CID 177297673
[4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4S)-4-pyrazolo[1,5-a]pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174145278
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(6-methyl-2-pyridinyl)-1,3,4-oxadiazol-2-yl]methanone
CID 177297408
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
CID 169164258
[(4S)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methyl-2-pyridin-2-yl-1,3-oxazol-5-yl)methanone
CID 169164514
azetidin-1-yl-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 177297484
[4-(difluoromethyl)-2-(1-hydroxyethyl)-1,3-oxazol-5-yl]-[(4R)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 174213740

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone?
The IUPAC name of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone (CID 169164175) is [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone is Cn1ccc(-c2nc(C(F)F)c(C(=O)N3CCc4[nH]cnc4[C@H]3c3cc4ccccc4o3)o2)n1.
What is the InChIKey of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone?
The InChIKey is BDWYSVVKYVLMEM-LJQANCHMSA-N. The full InChI is InChI=1S/C23H18F2N6O3/c1-30-8-6-14(29-30)22-28-18(21(24)25)20(34-22)23(32)31-9-7-13-17(27-11-26-13)19(31)16-10-12-4-2-3-5-15(12)33-16/h2-6,8,10-11,19,21H,7,9H2,1H3,(H,26,27)/t19-/m1/s1.
What are the key properties of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone?
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone has a molecular weight of 464.43 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-(difluoromethyl)-2-(1-methylpyrazol-3-yl)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 169164175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).